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1,2-Dioleoyl-Sn-Glycero-3-Phosphocholine
CAS: 4235-95-4 | C44H84NO8P
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
4235-95-4
Molecular Formula:
C44H84NO8P
Molecular Mass:
786.13 g/mol
Names and Synonyms:
1,2-Dioleoyl-Sn-Glycero-3-Phosphocholine
L-α-Dioleylphosphatidylcholine
3,5,9-Trioxa-4-phosphaheptacos-18-en-1-aminium, 4-hydroxy-N,N,N-trimethyl-10-oxo-7-[[(9Z)-1-oxo-9-octadecen-1-yl]oxy]-, inner salt, 4-oxide, (7R,18Z)-
Choline, hydroxide, dihydrogen phosphate, inner salt, ester with L-1,2-diolein
3,5,9-Trioxa-4-phosphaheptacos-18-en-1-aminium, 4-hydroxy-N,N,N-trimethyl-10-oxo-7-[(1-oxo-9-octadecenyl)oxy]-, hydroxide, inner salt, 4-oxide, [R-(Z,Z)]-
Choline phosphate, 3-ester with L-1,2-diolein
3,5,9-Trioxa-4-phosphaheptacos-18-en-1-aminium, 4-hydroxy-N,N,N-trimethyl-10-oxo-7-[[(9Z)-1-oxo-9-octadecenyl]oxy]-, inner salt, 4-oxide, (7R,18Z)-
Olein, 1,2-di-, L-, dihydrogen phosphate, monoester with choline hydroxide
Dioleoyl L-α-lecithin
1,2-Dioleyl-L-lecithin
Dioleoyllecithin
Dioleoyl-L-α-phosphatidylcholine
L-Dioleoylphosphatidylcholine
Dioleoyl-L-α-glycerophosphorylcholine
1,2-Dioleoyl-sn-glycero-3-phosphorylcholine
L-α-Di(cis-9-octadecanoyl) lecithin
1,2-Dioleoylphosphatidylcholine
L-Dioleoyl lecithin
1,2-Dioleoyl-L-α-lecithin
sn-3-Dioleoyllecithin
1,2-Dioleoyl-sn-glycero-3-phosphorylcholine
1,2-Dioleoyl-sn-phosphatidylcholine
L-α-Dioleoyllecithin
Dioleoyl-3-sn-phosphatidylcholine
Dioleoyl-L-α-glycerophosphocholine
L-α-Dioleoyl phosphatidylcholine
DOPC
3,5,9-Trioxa-4-phosphaheptacos-18-en-1-aminium, 4-hydroxy-N,N,N-trimethyl-10-oxo-7-[(1-oxo-9-octadecenyl)oxy]-, inner salt, 4-oxide, [R-(Z,Z)]-
1,2-Dioleoyl-sn-glycero-3-phosphocholine
Dioleoylphosphatidylcholine
PDD 111
1,2-Dioleoyl-3-sn-phosphatidylcholine
1,2-Di-(9Z-octadecenoyl)-sn-glycero-3-phosphocholine
51: PN: WO2017201317 SEQID: 124 claimed DNA
1,2-Di-(9Z-octadecenoyl)-sn-glycero-3-phosphocholine
1,2-Dioleoyl-sn-glycero-3-phosphochline
Identifiers:
SMILES:
CCCCCCCC/C=CCCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCC/C=CCCCCCCCC
InChI:
InChI=1S/C44H84NO8P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-43(46)50-40-42(41-52-54(48,49)51-39-38-45(3,4)5)53-44(47)37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h20-23,42H,6-19,24-41H2,1-5H3/b22-20-,23-21-/t42-/m1/s1
Key Properties
Melting Point
-21 °C
CAS Common Chemistry
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
Predicting NMR spectra...
10 ppm
9
8
7
6
5
4
3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
80
60
40
20
0 ppm
| Shift (ppm) | DEPT | Assignment |
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Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 786.13 g/mol | CAS Common Chemistry |
| 786.1289999999992 g/mol | RDKit | |
| 785.5934552779999 g/mol | RDKit | |
| Canonical SMILES | O=C(OCC(OC(=O)CCCCCCCC=CCCCCCCCC)COP(=O)([O-])OCC[N+](C)(C)C)CCCCCCCC=CCCCCCCCC | CAS Common Chemistry |
| InChI | InChI=1S/C44H84NO8P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-43(46)50-40-42(41-52-54(48,49)51-39-38-45(3,4)5)53-44(47)37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h20-23,42H,6-19,24-41H2,1-5H3/b22-20-,23-21-/t42-/m1/s1 | CAS Common Chemistry |
| InChI Key | InChIKey=SNKAWJBJQDLSFF-NVKMUCNASA-N | CAS Common Chemistry |
| Melting Point | -21 °C | CAS Common Chemistry |
| Name | 1,2-Dioleoyl-sn-glycero-3-phosphocholine | CAS Common Chemistry |
| Heavy Atom Count | 54 | RDKit |
| Hydrogen Bond Acceptors | 8 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 40 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 111.19 Ų | RDKit |
| LogP | 11.724199999999989 | RDKit |
| Molar Refractivity | 222.15289999999897 | RDKit |
